Entry |
|
Name |
|
Formula |
C15H14O8
|
Exact mass |
322.0689
|
Mol weight |
322.27
|
Structure |
|
Reaction |
|
Pathway |
map01110 | Biosynthesis of secondary metabolites |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1202 Flavans, Flavanols and Leucoanthocyanidins
C05909 Leucodelphinidin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavan 3,4-diols
C05909 Leucodelphinidin
|
Other DBs |
|
KCF data |
ATOM 23
1 C8y C 27.0244 -17.2744
2 C8y C 27.0185 -18.6806
3 O2x O 28.2473 -16.5865
4 C8x C 25.8146 -16.5806
5 C1y C 28.2356 -19.3930
6 C8y C 25.8146 -19.3871
7 C1y C 29.4571 -17.2860
8 C8y C 24.5917 -17.2744
9 C1y C 29.4512 -18.6923
10 O1a O 28.2239 -20.7873
11 C8x C 24.5917 -18.6806
12 O1a O 25.7970 -20.7873
13 C8y C 30.6624 -16.5806
14 O1a O 23.3819 -16.5806
15 O1a O 30.6566 -19.3930
16 C8x C 31.8722 -17.2744
17 C8x C 30.6683 -15.1805
18 C8y C 33.0893 -16.5865
19 C8y C 31.8781 -14.4796
20 C8y C 33.0893 -15.1863
21 O1a O 34.2875 -17.2744
22 O1a O 31.8664 -13.0735
23 O1a O 34.2875 -14.4679
BOND 25
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 5 9 1
9 5 10 1 #Up
10 6 11 2
11 6 12 1
12 7 13 1 #Down
13 8 14 1
14 9 15 1 #Up
15 13 16 2
16 13 17 1
17 16 18 1
18 17 19 2
19 18 20 2
20 18 21 1
21 19 22 1
22 20 23 1
23 7 9 1
24 8 11 1
25 19 20 1
|